N-prop-2-ynyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-prop-2-ynyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-prop-2-ynyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-prop-2-ynyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-prop-2-ynyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-propargyl-2-[4-[3-(trifluoromethyl)benzyl]piperazine-1,4-diium-1-yl]acetamide Formula: C17H22F3N3O+2 MolecularWeight: 341.37129

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C#CCNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H20F3N3O/c1-2-6-21-16(24)13-23-9-7-22(8-10-23)12-14-4-3-5-15(11-14)17(18,19)20/h1,3-5,11H,6-10,12-13H2,(H,21,24)/p+2